SCHEMBL25598043

SCHEMBL25598043

Brc1cnc2c(N3CCCCC3)nccn12

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.50
GRIA1 P42261 2/20 0.41
PDE5A O76074 1/20 0.41
PDE6A P16499 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE3A Q14432 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6937711 0.86 PDE5A (0.56) ADORA3PDE5APDE6APDE1BPDE3A
SCHEMBL25221992 0.82 DOT1L (0.41) ADORA3
SCHEMBL25269742 0.82 DOT1L (0.41) ADORA3
SCHEMBL25679120 0.80 ADORA3 (0.50) ADORA3GRIA1
SCHEMBL25598060 0.80 ADORA3 (0.50) ADORA3GRIA1
SCHEMBL7320863 0.75 HTR2C (0.41) ADORA3
SCHEMBL2402317 0.75 GRIA1 (0.36) GRIA1
SCHEMBL3800340 0.74 GRIA1 (0.53) GRIA1
SCHEMBL2484426 0.72 TLR7 (0.33)
SCHEMBL12574602 0.72 ADORA3 (0.51) ADORA3GRIA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 WO disclosed